S429-1184 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine

S429-1184 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine
S429-1184 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1184
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S429-1184

Molecular Formula

C22H31N5O5S (C22 H31 N5 O5 S)

Compound Name

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine

IUPAC name

4-(5-cyclopropyl-124-oxadiazol-3-yl)-1-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl}-4-methylpiperidine

SMILES

CC(CC1)(CCN1C(C(CC1)CCN1S(c1c(C)onc1C)(=O)=O)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C22H31N5O5S/c1-14-18(15(2)31-24-14)33(29,30)27-10-6-17(7-11-27)20(28)26-12-8-22(3,9-13-26)21-23-19(32-25-21)16-4-5-16/h16-17H,4-13H2,1-3H3

InChI Key

FBJGSIBPEVMANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-2.15

Polar Surface Area

102.565

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.73

S429-1184 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S429-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1184?
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What is the minimum amount of S429-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1184
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S429-1184 available by request